1-(1-adamantyl)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[3,5-bis(bromanyl)-4-oxidanyl-phenyl]urea Openeye Name: 1-(1-adamantyl)-3-(3,5-dibromo-4-hydroxy-phenyl)urea CAS Name: 1-(1-adamantyl)-3-(3,5-dibromo-4-hydroxyphenyl)urea IUPAC Name: 1-(1-adamantyl)-3-(3,5-dibromo-4-hydroxyphenyl)urea Traditional Name: 1-(1-adamantyl)-3-(3,5-dibromo-4-hydroxy-phenyl)urea Formula: C17H20Br2N2O2 MolecularWeight: 444.1609

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC(=C(C(=C4)Br)O)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=CC(=C(C(=C4)Br)O)Br

InChI

InChI=1S/C17H20Br2N2O2/c18-13-4-12(5-14(19)15(13)22)20-16(23)21-17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,22H,1-3,6-8H2,(H2,20,21,23)